ChemSpider 2D Image | 6-O-Acetyl-2-O-beta-D-glucopyranosyl-1-O-[(1alpha,3beta,22R,24E)-3-(beta-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dien-26-yl]-beta-D-glucopyranose | C48H76O21

6-O-Acetyl-2-O-β-D-glucopyranosyl-1-O-[(1α,3β,22R,24E)-3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dien-26-yl]-β-D-glucopyranose

  • Molecular FormulaC48H76O21
  • Average mass989.104 Da
  • Monoisotopic mass988.487915 Da
  • ChemSpider ID8639080

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 25 of 25 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

155510-74-0 [RN]
6-O-Acetyl-2-O-β-D-glucopyranosyl-1-O-[(1α,3β,22R,24E)-3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dien-26-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-O-Acetyl-2-O-β-D-glucopyranosyl-1-O-[(1α,3β,22R,24E)-3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dien-26-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-O-Acétyl-2-O-β-D-glucopyranosyl-1-O-[(1α,3β,22R,24E)-3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dién-26-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2-O-β-D-glucopyranosyl-1-O-[(1α,3β,22R,24E)-3-(β-D-glucopyranosyloxy)-1,22-dihydroxy-26-oxoergosta-5,24-dien-26-yl]-, 6-acetate [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1085.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 180.2±6.0 kJ/mol
Flash Point: 308.1±27.8 °C
Index of Refraction: 1.625
Molar Refractivity: 239.5±0.4 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.63
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.63
Polar Surface Area: 342 Å2
Polarizability: 94.9±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 677.8±5.0 cm3

Click to predict properties on the Chemicalize site


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